On Fri, Jun 03, 2005, Zhang Bing wrote:
>
> Thanks a lot for your help. I got the test jobs passed by issuing the
> new test command. However, when I tried my own works, it failed again:
>
> [nnizb.nemo exe]$ mpirun -np 4 sander -O -i min.in -p cdk5.parm -c
> cdk5.crd -o cdk.out -r cdk.rst
>
> [0] MPI Abort by user Aborting program !
Your command line looks OK. Does the *exact* same input files work if you
use a serial version, or use "mpirun -np 1"? Are there any output files,
especially "cdk.out"? That file would most likely report error messages.
Since the test cases are working for you, select the one that is closest to
what you really want to do, and try to slowly change from its input to yours.
That may help you figure out where the problem is.
....dac
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Received on Fri Jun 03 2005 - 16:53:01 PDT
